6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine

C6H4ClF2N3O2 — CID 130102626

IUPAC6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
SMILESNc1cc(C(F)F)c(Cl)nc1[N+](=O)[O-]
InChIInChI=1S/C6H4ClF2N3O2/c7-4-2(5(8)9)1-3(10)6(11-4)12(13)14/h1,5H,10H2
InChIKeyZGFXTTSOGJCYHA-UHFFFAOYSA-N
MW223.57 g/mol
LogP2.16
Rot. Bonds2

About 6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine

6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine (PubChem CID 130102626) has the molecular formula C6H4ClF2N3O2 and a molecular weight of 223.57 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
PubChem CID130102626
Molecular FormulaC6H4ClF2N3O2
Molecular Weight223.57 g/mol
Exact Mass223.00
IUPAC Name6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
SMILESNc1cc(C(F)F)c(Cl)nc1[N+](=O)[O-]
InChIInChI=1S/C6H4ClF2N3O2/c7-4-2(5(8)9)1-3(10)6(11-4)12(13)14/h1,5H,10H2
InChIKeyZGFXTTSOGJCYHA-UHFFFAOYSA-N
XLogP2.16
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.57
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine
CID 119012355
5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134683686
2-[5-amino-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetonitrile
CID 130106916
2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119007926
6-chloro-5-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102456
4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
CID 130103945
5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 130101818
4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102613
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 130106958
[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine
CID 118808844
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine?
The IUPAC name of 6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine (CID 130102626) is 6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine is Nc1cc(C(F)F)c(Cl)nc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine?
The InChIKey is ZGFXTTSOGJCYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N3O2/c7-4-2(5(8)9)1-3(10)6(11-4)12(13)14/h1,5H,10H2.
What are the key properties of 6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine?
6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine has a molecular weight of 223.57 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine is sourced from PubChem (CID 130102626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).